cct.amber
Class AmberUtilities

java.lang.Object
  extended by cct.amber.AmberUtilities

public class AmberUtilities
extends java.lang.Object

Title: Picking

Description:

Copyright: Copyright (c) 2005

Company:


Field Summary
static java.lang.String AmberAtomFlags
           
(package private) static java.lang.String defaultAtomTypesTableFile
           
(package private) static java.util.HashMap<java.lang.String,java.lang.Integer> defaultElementsTable
           
 
Method Summary
static int getElement(java.lang.String amberType)
           
static int getNAtomsFromCoordFile(java.lang.String filename)
           
static java.util.HashMap<java.lang.String,java.lang.Integer> readAmberElementsTable(java.lang.String propertiesName)
           
static void updateCoordFromInpcrd(MoleculeInterface molecule, java.lang.String file_name)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

AmberAtomFlags

public static final java.lang.String AmberAtomFlags
See Also:
Constant Field Values

defaultAtomTypesTableFile

static java.lang.String defaultAtomTypesTableFile

defaultElementsTable

static java.util.HashMap<java.lang.String,java.lang.Integer> defaultElementsTable
Method Detail

getElement

public static int getElement(java.lang.String amberType)

readAmberElementsTable

public static java.util.HashMap<java.lang.String,java.lang.Integer> readAmberElementsTable(java.lang.String propertiesName)

getNAtomsFromCoordFile

public static int getNAtomsFromCoordFile(java.lang.String filename)

updateCoordFromInpcrd

public static void updateCoordFromInpcrd(MoleculeInterface molecule,
                                         java.lang.String file_name)
                                  throws java.lang.Exception
Throws:
java.lang.Exception